diethyl-[(2S)-3-[2-methoxy-4-[(2-piperidin-1-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[(2-piperidin-1-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[2-(1-piperidyl)ethylammonio]methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[2-(1-piperidinyl)ethylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(2-piperidin-1-ylethylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(2-piperidinoethylammonio)methyl]phenoxy]propyl]ammonium Formula: C22H41N3O3+2 MolecularWeight: 395.57924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=C(C=C1)C[NH2+]CCN2CCCCC2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)C[NH2+]CCN2CCCCC2)OC)O

InChI

InChI=1S/C22H39N3O3/c1-4-24(5-2)17-20(26)18-28-21-10-9-19(15-22(21)27-3)16-23-11-14-25-12-7-6-8-13-25/h9-10,15,20,23,26H,4-8,11-14,16-18H2,1-3H3/p+2/t20-/m0/s1